4-[[[6-oxidanylidene-1-(phenylmethyl)pyridazin-3-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[6-oxidanylidene-1-(phenylmethyl)pyridazin-3-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(1-benzyl-6-oxo-pyridazine-3-carbonyl)amino]methyl]benzoic acid CAS Name: 4-[[[oxo-[6-oxo-1-(phenylmethyl)-3-pyridazinyl]methyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[(1-benzyl-6-keto-pyridazine-3-carbonyl)amino]methyl]benzoic acid Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C=CC(=N2)C(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C=CC(=N2)C(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H17N3O4/c24-18-11-10-17(22-23(18)13-15-4-2-1-3-5-15)19(25)21-12-14-6-8-16(9-7-14)20(26)27/h1-11H,12-13H2,(H,21,25)(H,26,27)